3-[2-fluoro-3-(2-fluorophenyl)-4-methylphenyl]benzonitrile

C20H13F2N — CID 173035593

IUPAC3-[2-fluoro-3-(2-fluorophenyl)-4-methylphenyl]benzonitrile
SMILESCc1ccc(-c2cccc(C#N)c2)c(F)c1-c1ccccc1F
InChIInChI=1S/C20H13F2N/c1-13-9-10-16(15-6-4-5-14(11-15)12-23)20(22)19(13)17-7-2-3-8-18(17)21/h2-11H,1H3
InChIKeyGVYBTSLNOOYDAG-UHFFFAOYSA-N
MW305.33 g/mol
LogP5.48
Rot. Bonds2

About 3-[2-fluoro-3-(2-fluorophenyl)-4-methylphenyl]benzonitrile

3-[2-fluoro-3-(2-fluorophenyl)-4-methylphenyl]benzonitrile (PubChem CID 173035593) has the molecular formula C20H13F2N and a molecular weight of 305.33 g/mol. Its IUPAC name is 3-[2-fluoro-3-(2-fluorophenyl)-4-methylphenyl]benzonitrile.

Molecular Properties

Compound Name3-[2-fluoro-3-(2-fluorophenyl)-4-methylphenyl]benzonitrile
PubChem CID173035593
Molecular FormulaC20H13F2N
Molecular Weight305.33 g/mol
Exact Mass305.10
IUPAC Name3-[2-fluoro-3-(2-fluorophenyl)-4-methylphenyl]benzonitrile
SMILESCc1ccc(-c2cccc(C#N)c2)c(F)c1-c1ccccc1F
InChIInChI=1S/C20H13F2N/c1-13-9-10-16(15-6-4-5-14(11-15)12-23)20(22)19(13)17-7-2-3-8-18(17)21/h2-11H,1H3
InChIKeyGVYBTSLNOOYDAG-UHFFFAOYSA-N
XLogP5.48
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.33
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-[2-fluoro-3-(2-fluorophenyl)-4-methylphenyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 14586
CID 14586
CID 145512
CID 145512
CID 89884
CID 89884
CID 38764
CID 38764
CID 22743
CID 22743
CID 17279
CID 17279
CID 11944
CID 11944
CID 41459
CID 41459
CID 104289
CID 104289
CID 613000
CID 613000
CID 71035
CID 71035
CID 44434099
CID 44434099

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-3-(2-fluorophenyl)-4-methylphenyl]benzonitrile?
The IUPAC name of 3-[2-fluoro-3-(2-fluorophenyl)-4-methylphenyl]benzonitrile (CID 173035593) is 3-[2-fluoro-3-(2-fluorophenyl)-4-methylphenyl]benzonitrile.
What is the SMILES notation for 3-[2-fluoro-3-(2-fluorophenyl)-4-methylphenyl]benzonitrile?
The canonical SMILES for 3-[2-fluoro-3-(2-fluorophenyl)-4-methylphenyl]benzonitrile is Cc1ccc(-c2cccc(C#N)c2)c(F)c1-c1ccccc1F.
What is the InChIKey of 3-[2-fluoro-3-(2-fluorophenyl)-4-methylphenyl]benzonitrile?
The InChIKey is GVYBTSLNOOYDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N/c1-13-9-10-16(15-6-4-5-14(11-15)12-23)20(22)19(13)17-7-2-3-8-18(17)21/h2-11H,1H3.
What are the key properties of 3-[2-fluoro-3-(2-fluorophenyl)-4-methylphenyl]benzonitrile?
3-[2-fluoro-3-(2-fluorophenyl)-4-methylphenyl]benzonitrile has a molecular weight of 305.33 g/mol, XLogP of 5.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-3-(2-fluorophenyl)-4-methylphenyl]benzonitrile is sourced from PubChem (CID 173035593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).